N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide

C23H25F3N6O — CID 154965834

IUPACN-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESO=C(Nc1ncc2ccc(-c3cnn(C4CC4)c3)cc2n1)C1CCN(CC(F)C(F)F)CC1
InChIInChI=1S/C23H25F3N6O/c24-19(21(25)26)13-31-7-5-14(6-8-31)22(33)30-23-27-10-16-2-1-15(9-20(16)29-23)17-11-28-32(12-17)18-3-4-18/h1-2,9-12,14,18-19,21H,3-8,13H2,(H,27,29,30,33)
InChIKeyCJPNPORPERTZNH-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.08
Rot. Bonds7

About N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide

N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide (PubChem CID 154965834) has the molecular formula C23H25F3N6O and a molecular weight of 458.49 g/mol. Its IUPAC name is N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide
PubChem CID154965834
Molecular FormulaC23H25F3N6O
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC NameN-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESO=C(Nc1ncc2ccc(-c3cnn(C4CC4)c3)cc2n1)C1CCN(CC(F)C(F)F)CC1
InChIInChI=1S/C23H25F3N6O/c24-19(21(25)26)13-31-7-5-14(6-8-31)22(33)30-23-27-10-16-2-1-15(9-20(16)29-23)17-11-28-32(12-17)18-3-4-18/h1-2,9-12,14,18-19,21H,3-8,13H2,(H,27,29,30,33)
InChIKeyCJPNPORPERTZNH-UHFFFAOYSA-N
XLogP4.08
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide
CID 138586722
1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138586986
2-(4-hydroxypiperidin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138587464
1-(oxetan-3-yl)-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]piperidine-4-carboxamide
CID 138587588
4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine
CID 175357938
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 138590403
2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138589175
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 138587014
N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]oxane-4-carboxamide
CID 138588417
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide
CID 138587907
(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide
CID 138591844
1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147845265

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide?
The IUPAC name of N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide (CID 154965834) is N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide is O=C(Nc1ncc2ccc(-c3cnn(C4CC4)c3)cc2n1)C1CCN(CC(F)C(F)F)CC1.
What is the InChIKey of N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide?
The InChIKey is CJPNPORPERTZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O/c24-19(21(25)26)13-31-7-5-14(6-8-31)22(33)30-23-27-10-16-2-1-15(9-20(16)29-23)17-11-28-32(12-17)18-3-4-18/h1-2,9-12,14,18-19,21H,3-8,13H2,(H,27,29,30,33).
What are the key properties of N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide?
N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide has a molecular weight of 458.49 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-cyclopropylpyrazol-4-yl)quinazolin-2-yl]-1-(2,3,3-trifluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 154965834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).